(5-bromanyl-2-chloranyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-bromanyl-2-chloranyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (5-bromo-2-chloro-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (5-bromo-2-chlorophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-chlorophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (5-bromo-2-chloro-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H16BrClN3O+ MolecularWeight: 381.67474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C16H15BrClN3O/c17-12-4-5-14(18)13(11-12)16(22)21-9-7-20(8-10-21)15-3-1-2-6-19-15/h1-6,11H,7-10H2/p+1